3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine

C16H19NS — CID 104859620

IUPAC3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C16H19NS/c1-12-10-14(11-12)17-16(15-8-5-9-18-15)13-6-3-2-4-7-13/h2-9,12,14,16-17H,10-11H2,1H3
InChIKeyDTAINMMHURBHJL-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.23
Rot. Bonds4

About 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine (PubChem CID 104859620) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
PubChem CID104859620
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NC(c2ccccc2)c2cccs2)C1
InChIInChI=1S/C16H19NS/c1-12-10-14(11-12)17-16(15-8-5-9-18-15)13-6-3-2-4-7-13/h2-9,12,14,16-17H,10-11H2,1H3
InChIKeyDTAINMMHURBHJL-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
2,5-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 64763028
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]pyrrolidin-3-amine
CID 62981126
2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]cyclopentan-1-amine
CID 79859844
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-[phenyl(thiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43722098
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
CID 115707556

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine (CID 104859620) is 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine is CC1CC(NC(c2ccccc2)c2cccs2)C1.
What is the InChIKey of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is DTAINMMHURBHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12-10-14(11-12)17-16(15-8-5-9-18-15)13-6-3-2-4-7-13/h2-9,12,14,16-17H,10-11H2,1H3.
What are the key properties of 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine?
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104859620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).